Water → Methanesulfonate

HRID 308080Notes

Reaction equation

HRID 308080 reaction equation
[CH3:29][O:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:37][S:38](=[O:39])(=[O:40])[OH:41].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([S:14](=[O:15])[c:16]2[cH:17][cH:18][c:19]([O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:20][cH:21]2)[cH:12][cH:13]1.[OH2:42]>>[CH3:37][S:38](=[O:39])(=[O:40])[O-:41].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([S+:14]([c:16]2[cH:17][cH:18][c:19]([O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:20][cH:21]2)[c:34]2[cH:33][cH:32][c:31]([O:30][CH3:29])[cH:36][cH:35]2)[cH:12][cH:13]1

Participants

6

Reactant 4

HCID 962WaterHCID 6395Methanesulfonic AcidHCID 7519AnisoleHCID 20458149HCID 20458149, compound

Product 2

HCID 85257MethanesulfonateHCID 20458152HCID 20458152, compound

Sources & evidence

ORD record
ord-13db1827bda64ea0bb1c6670d9c569b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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